CID 470897

6-methylpyrazine-2-carboxylic acid

Structural Information

Molecular Formula
C6H6N2O2
SMILES
CC1=CN=CC(=N1)C(=O)O
InChI
InChI=1S/C6H6N2O2/c1-4-2-7-3-5(8-4)6(9)10/h2-3H,1H3,(H,9,10)
InChIKey
YDSUJIRXXROKQG-UHFFFAOYSA-N
Compound name
6-methylpyrazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

528
Patents

138.04292 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.05020 124.8
[M+Na]+ 161.03214 134.0
[M-H]- 137.03564 124.9
[M+NH4]+ 156.07674 143.2
[M+K]+ 177.00608 132.6
[M+H-H2O]+ 121.04018 118.2
[M+HCOO]- 183.04112 145.9
[M+CH3COO]- 197.05677 170.1
[M+Na-2H]- 159.01759 132.3
[M]+ 138.04237 124.7
[M]- 138.04347 124.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe